Eplerenone

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Systematic / IUPAC Name: Methyl (4aS,4bR,5aR,6aS,7R,9aS,9bR,10R)-4a,6a-dimethyl-2,5'-dioxo-2,4,4',4a,5',5a,6,6a,8,9,9a,9b,10,11-tetradecahydro-3H,3'H-spiro[cyclopenta[7,8]phenanthro[4b,5-b]oxirene-7,2'-furan]-10-carboxylate

ID: Reference2079

Other Names: Epoxymexrenone;
7α-Methoxycarbonyl-3-oxo-9,11α-epoxy-17α-pregn-4-ene-21,17-carbolactone

Formula: C24H30O6

Class: Therapeutics/Prescription Drugs

Spectral Data

Eplerenone mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 45
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 7/20/2015 11:03:43 AM
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Identificators

InChI InChI=1S/C24H30O6/c1-21-7-4-14(25)10-13(21)11-15(20(27)28-3)19-16-5-8-23(9-6-18(26)30-23)22(16,2)12-17-24(19,21)29-17/h10,15-17,19H,4-9,11-12H2,1-3H3/t15-,16+,17-,19+,21+,22+,23-,24-/m1/s1
InChI Key JUKPWJGBANNWMW-VWBFHTRKSA-N
Canonical SMILES CC12CCC(=O)C=C1CC(C3C24C(O4)CC5(C3CCC56CCC(=O)O6)C)C(=O)OC
CAS 107724209
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Other Names Epoxymexrenone;
7α-Methoxycarbonyl-3-oxo-9,11α-epoxy-17α-pregn-4-ene-21,17-carbolactone

In Other Databases

ChemSpider 10203511
Wikipedia Eplerenone
KEGG D01115; C12512
ChEBI CHEBI:31547
ChEMBL CHEMBL1095097
PubChem 443872
HMDb HMDB14838
DrugBank DB00700